SCHEMBL8453789

SCHEMBL8453789

CCCC1CCC(CCC2CCC(c3cc(F)c(CCc4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8453787 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8453784 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448215 0.93 CYP1A2 (0.30)
SCHEMBL8448212 0.93 CYP1A2 (0.30)
SCHEMBL8448210 0.93 CYP1A2 (0.30)
SCHEMBL8453905 0.93 ADAMTS5 (0.30) ADAMTS5
SCHEMBL8453894 0.93 ADAMTS5 (0.30) ADAMTS5
SCHEMBL8453899 0.93 ADAMTS5 (0.30) ADAMTS5
SCHEMBL8452009 0.92 SPHK1 (0.32) MAPTMEN1KMT2A
SCHEMBL8452011 0.92 SPHK1 (0.32) MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed